CID 4077807

6,7-dimethoxy-4-propylquinazoline

Structural Information

Molecular Formula
C13H16N2O2
SMILES
CCCC1=NC=NC2=CC(=C(C=C21)OC)OC
InChI
InChI=1S/C13H16N2O2/c1-4-5-10-9-6-12(16-2)13(17-3)7-11(9)15-8-14-10/h6-8H,4-5H2,1-3H3
InChIKey
DQHGTGPWVKITMT-UHFFFAOYSA-N
Compound name
6,7-dimethoxy-4-propylquinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.12119 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.128466 152.4
[M+Na]+ 255.110408 162.3
[M-H]- 231.113914 154.6
[M+NH4]+ 250.155013 169.4
[M+K]+ 271.084348 159.3
[M+H-H2O]+ 215.118450 144.3
[M+HCOO]- 277.119391 173.3
[M+CH3COO]- 291.135041 193.6
[M+Na-2H]- 253.095856 159.6
[M]+ 232.12064142 157.5
[M]- 232.12173858 157.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.